Binding information for 1w7x_ligand_3_104.mol2(FDBF03582)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1w7x_ligand_3_104.mol2 | 1w7x | 1 | -5.81 | Oc1c(OC)cc(C)cc1 | 10 |
Structure and binding mode of 1w7x_ligand_3_104.mol2(FDBF03582)
Important binding residues for 1w7x_ligand_3_104.mol2(FDBF03582)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1w7x | HIS57 | -1.34 | -0.57 | -1.91 | 1.37 | -0.54 |
| 1w7x | THR99 | -0.64 | -0.12 | -0.76 | 0.11 | -0.65 |
| 1w7x | LYS192 | -0.52 | 0.29 | -0.23 | -0.13 | -0.36 |
| 1w7x | TRP215 | -1.72 | -0.52 | -2.24 | 0.64 | -1.61 |
